bis(5-[[(3R)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);bis(5-[[(3S)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(3R)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-[2-(1-fluoroethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C205H195FN46O24 — CID 163887987

IUPACbis(5-[[(3R)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);bis(5-[[(3S)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(3R)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-[2-(1-fluoroethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC(F)c1cc(-c2cnc([C@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)ccn1.CCc1cc(-c2cnc([C@@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1.CCc1cc(-c2cnc([C@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1.Cc1cc(-c2cnc([C@@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1.Cc1cc(-c2cnc([C@@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1.Cc1cc(-c2cnc([C@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1.Cc1cc(-c2cnc([C@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1.Cc1cncc(-c2cnc([C@@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1
InChIInChI=1S/C27H24FN5O3.2C26H26N6O3.C26H23N5O3.4C25H24N6O3/c1-15(28)21-12-16(6-8-29-21)22-13-31-26(32-22)18-10-17-11-19(2-4-23(17)35-14-18)36-24-7-9-30-27-20(24)3-5-25(34)33-27;2*1-3-17-12-21(32(2)31-17)20-13-28-25(29-20)16-10-15-11-18(4-6-22(15)34-14-16)35-23-8-9-27-26-19(23)5-7-24(33)30-26;1-15-8-17(12-27-11-15)21-13-29-25(30-21)18-9-16-10-19(2-4-22(16)33-14-18)34-23-6-7-28-26-20(23)3-5-24(32)31-26;4*1-14-9-20(31(2)30-14)19-12-27-24(28-19)16-10-15-11-17(3-5-21(15)33-13-16)34-22-7-8-26-25-18(22)4-6-23(32)29-25/h2,4,6-9,11-13,15,18H,3,5,10,14H2,1H3,(H,31,32)(H,30,33,34);2*4,6,8-9,11-13,16H,3,5,7,10,14H2,1-2H3,(H,28,29)(H,27,30,33);2,4,6-8,10-13,18H,3,5,9,14H2,1H3,(H,29,30)(H,28,31,32);4*3,5,7-9,11-12,16H,4,6,10,13H2,1-2H3,(H,27,28)(H,26,29,32)/t15?,18-;2*16-;18-;4*16-/m11001100/s1
InChIKeyPZBFJIFNTNEXFL-GFLDAFPISA-N
MW3706.11 g/mol
LogP33.83
Rot. Bonds35

About bis(5-[[(3R)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);bis(5-[[(3S)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(3R)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-[2-(1-fluoroethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

bis(5-[[(3R)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);bis(5-[[(3S)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(3R)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-[2-(1-fluoroethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 163887987) has the molecular formula C205H195FN46O24 and a molecular weight of 3706.11 g/mol. Its IUPAC name is bis(5-[[(3R)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);bis(5-[[(3S)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(3R)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-[2-(1-fluoroethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Namebis(5-[[(3R)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);bis(5-[[(3S)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(3R)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-[2-(1-fluoroethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID163887987
Molecular FormulaC205H195FN46O24
Molecular Weight3706.11 g/mol
Exact Mass3703.54
IUPAC Namebis(5-[[(3R)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);bis(5-[[(3S)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(3R)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-[2-(1-fluoroethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC(F)c1cc(-c2cnc([C@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)ccn1.CCc1cc(-c2cnc([C@@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1.CCc1cc(-c2cnc([C@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1.Cc1cc(-c2cnc([C@@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1.Cc1cc(-c2cnc([C@@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1.Cc1cc(-c2cnc([C@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1.Cc1cc(-c2cnc([C@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1.Cc1cncc(-c2cnc([C@@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1
InChIInChI=1S/C27H24FN5O3.2C26H26N6O3.C26H23N5O3.4C25H24N6O3/c1-15(28)21-12-16(6-8-29-21)22-13-31-26(32-22)18-10-17-11-19(2-4-23(17)35-14-18)36-24-7-9-30-27-20(24)3-5-25(34)33-27;2*1-3-17-12-21(32(2)31-17)20-13-28-25(29-20)16-10-15-11-18(4-6-22(15)34-14-16)35-23-8-9-27-26-19(23)5-7-24(33)30-26;1-15-8-17(12-27-11-15)21-13-29-25(30-21)18-9-16-10-19(2-4-22(16)33-14-18)34-23-6-7-28-26-20(23)3-5-24(32)31-26;4*1-14-9-20(31(2)30-14)19-12-27-24(28-19)16-10-15-11-17(3-5-21(15)33-13-16)34-22-7-8-26-25-18(22)4-6-23(32)29-25/h2,4,6-9,11-13,15,18H,3,5,10,14H2,1H3,(H,31,32)(H,30,33,34);2*4,6,8-9,11-13,16H,3,5,7,10,14H2,1-2H3,(H,28,29)(H,27,30,33);2,4,6-8,10-13,18H,3,5,9,14H2,1H3,(H,29,30)(H,28,31,32);4*3,5,7-9,11-12,16H,4,6,10,13H2,1-2H3,(H,27,28)(H,26,29,32)/t15?,18-;2*16-;18-;4*16-/m11001100/s1
InChIKeyPZBFJIFNTNEXFL-GFLDAFPISA-N
XLogP33.83
TPSA845.74 Ų
H-Bond Donors16
H-Bond Acceptors54
Rotatable Bonds35
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003706.11
LogP ≤ 533.83
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1054

Analyze bis(5-[[(3R)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);bis(5-[[(3S)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(3R)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-[2-(1-fluoroethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(5-[[(3R)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);bis(5-[[(3S)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(3R)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-[2-(1-fluoroethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of bis(5-[[(3R)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);bis(5-[[(3S)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(3R)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-[2-(1-fluoroethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 163887987) is bis(5-[[(3R)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);bis(5-[[(3S)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(3R)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-[2-(1-fluoroethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for bis(5-[[(3R)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);bis(5-[[(3S)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(3R)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-[2-(1-fluoroethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for bis(5-[[(3R)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);bis(5-[[(3S)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(3R)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-[2-(1-fluoroethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is CC(F)c1cc(-c2cnc([C@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)ccn1.CCc1cc(-c2cnc([C@@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1.CCc1cc(-c2cnc([C@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1.Cc1cc(-c2cnc([C@@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1.Cc1cc(-c2cnc([C@@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1.Cc1cc(-c2cnc([C@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1.Cc1cc(-c2cnc([C@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)n(C)n1.Cc1cncc(-c2cnc([C@@H]3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.
What is the InChIKey of bis(5-[[(3R)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);bis(5-[[(3S)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(3R)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-[2-(1-fluoroethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is PZBFJIFNTNEXFL-GFLDAFPISA-N. The full InChI is InChI=1S/C27H24FN5O3.2C26H26N6O3.C26H23N5O3.4C25H24N6O3/c1-15(28)21-12-16(6-8-29-21)22-13-31-26(32-22)18-10-17-11-19(2-4-23(17)35-14-18)36-24-7-9-30-27-20(24)3-5-25(34)33-27;2*1-3-17-12-21(32(2)31-17)20-13-28-25(29-20)16-10-15-11-18(4-6-22(15)34-14-16)35-23-8-9-27-26-19(23)5-7-24(33)30-26;1-15-8-17(12-27-11-15)21-13-29-25(30-21)18-9-16-10-19(2-4-22(16)33-14-18)34-23-6-7-28-26-20(23)3-5-24(32)31-26;4*1-14-9-20(31(2)30-14)19-12-27-24(28-19)16-10-15-11-17(3-5-21(15)33-13-16)34-22-7-8-26-25-18(22)4-6-23(32)29-25/h2,4,6-9,11-13,15,18H,3,5,10,14H2,1H3,(H,31,32)(H,30,33,34);2*4,6,8-9,11-13,16H,3,5,7,10,14H2,1-2H3,(H,28,29)(H,27,30,33);2,4,6-8,10-13,18H,3,5,9,14H2,1H3,(H,29,30)(H,28,31,32);4*3,5,7-9,11-12,16H,4,6,10,13H2,1-2H3,(H,27,28)(H,26,29,32)/t15?,18-;2*16-;18-;4*16-/m11001100/s1.
What are the key properties of bis(5-[[(3R)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);bis(5-[[(3S)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(3R)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-[2-(1-fluoroethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
bis(5-[[(3R)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);bis(5-[[(3S)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(3R)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-[2-(1-fluoroethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 3706.11 g/mol, XLogP of 33.83, 35 rotatable bonds, 16 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-[[(3R)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);bis(5-[[(3S)-3-[5-(2,5-dimethylpyrazol-3-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[(3R)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-[5-[2-(1-fluoroethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3R)-3-[5-(5-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 163887987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).